BioLiP

PDB

BioLiP

PDB CCD ID:

07Y

Number of entries in BioLiP:

Chemical formula:

C11 H13 N O7

InChI:

InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11-/m0/s1

InChIKey:

DUYYBTBDYZXISX-MMWGEVLESA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH]1O
CACTVS 3.385	OC[C@@H]1O[C@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@H]1O
OpenEye OEToolkits 2.0.7	c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O
OpenEye OEToolkits 2.0.7	c1cc(ccc1[N+](=O)[O-])OC2C(C(C(O2)CO)O)O

Name:

(2S,3R,4R,5R)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).